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100746-85-8 |
CAS No: 100746-85-8 Catalog No: AG01FMQJ MDL No:
Product Description
Catalog Number:
AG01FMQJ
CAS Number:
100746-85-8
IUPAC Name:
8-methoxy-3,4-dihydro-2H-thiochromene-3-carboxylic acid
InChI:
InChI=1S/C11H12O3S/c1-14-9-4-2-3-7-5-8(11(12)13)6-15-10(7)9/h2-4,8H,5-6H2,1H3,(H,12,13)
InChI Key:
UCLKKLUJRBIKDA-UHFFFAOYSA-N
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.274g/mol
Monoisotopic Mass:
224.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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